CAS No.: 917562-33-5 — 2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide (JT010)

1. Primary Information

English name:	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
CAS No.:	917562-33-5
Molecular formula:	C₁₆H₁₉ClN₂O₃S
Molecular weight:	354.9 g/mol
SMILES:	COCCCN(C1=NC(=CS1)C2=CC=C(C=C2)OC)C(=O)CCl
Structural class:
Other identifiers:	2-chloro-N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-(3-methoxypropyl)-acetamide JT010

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	5mg	98%	800	-20C	in stock	-
Kehua Intelligence	10mg	98%	1200	-20C	in stock	-
Kehua Intelligence	25mg	98%	2240	-20C	in stock	-
Kehua Intelligence	100mg	98%	6720	-20C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 42 43 0 0 0 0 0 0 0999 V2000 3.0860 -4.4045 -0.5615 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 1.7356 1.1417 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9027 1.8178 -1.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.6098 -0.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6178 0.2490 -0.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 -0.6679 0.5997 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2947 -0.2872 0.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 -0.0692 0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 0.5928 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 1.2127 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 0.1081 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 -2.0273 0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1711 0.7677 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 0.6340 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 1.9456 0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 -2.7425 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 -0.6015 0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3011 1.7398 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5591 -0.7311 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6612 1.6103 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2903 0.3748 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1838 2.3950 -0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1978 -1.0423 -0.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3333 0.6296 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1018 -0.8236 1.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1539 -0.1200 -1.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3852 1.3729 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0966 0.4381 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 1.9716 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0842 2.8960 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -2.2505 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8546 -2.8321 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 -1.4762 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 2.7144 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9850 -1.7185 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2252 2.4742 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5179 2.8465 -1.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9062 1.6277 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1305 3.1765 -0.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7565 -1.7789 -1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1518 -1.3633 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2576 -0.9596 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 12 2 0 0 0 0 5 21 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

4.2 InChI

InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)